| Properties | Image |
|---|
| MNX_ID | MNXM961580 |
 |
| reference | slm:000653965 |
| formula | C77H129NO9P |
| global charge | -1 |
| mol weight | 1243.851 |
| InChIKey | KTZOLONDBJUJQC-OVNYBZSFSA-M |
| InChI | InChI=1S/C77H130NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-43-45-48-51-54-57-60-63-66-69-77(81)87-74(72-84-76(80)68-65-62-59-56-53-50-47-44-42-40-33-31-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-29,32-34,36-37,39-41,44,46-47,74H,4-6,8-9,11-15,18,21-24,30-31,35,38,42-43,45,48-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,37-36-,40-33-,41-39-,46-27-,47-44-/t74-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H130NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-43-45-48-51-54-57-60-63-66-69-77(81)87-74(72-84-76(80)68-65-62-59-56-53-50-47-44-42-40-33-31-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-29,32-34,36-37,39-41,44,46-47,74H,4-6,8-9,11-15,18,21-24,30-31,35,38,42-43,45,48-73H2,1-3H3,(H,78,79)(H,82,83)/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,37-36-,40-33-,41-39-,46-27-,47-44-/t74-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:39]=[CH:41]\[CH2:43][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][C:77](=[O:81])[O:87][C@H:74]([CH2:72][O:84][C:76]([CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:42]/[CH:40]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:80])[CH2:73][O:86][P:88]([OH:82])(=[O:83])[O:85][CH2:71][CH2:70][N:78]=[C:75]([CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79] |
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